Dihexyl ether - CAS 112-58-3

Catalog:	BB003001
Product Name:	Dihexyl ether
CAS:	112-58-3
Synonyms:	1-hexoxyhexane

Technical Data

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Computed Properties

IUPAC Name:	1-hexoxyhexane
Description:	n-Hexyl ether can be used as a extraction solvent to detect pollutants in water.
Molecular Weight:	186.33
Molecular Formula:	C12H26O
Canonical SMILES:	CCCCCCOCCCCCC
InChI:	InChI=1S/C12H26O/c1-3-5-7-9-11-13-12-10-8-6-4-2/h3-12H2,1-2H3
InChI Key:	BPIUIOXAFBGMNB-UHFFFAOYSA-N
Boiling Point:	228-229 ℃ (lit.)
Density:	0.793 g/mL at 25 ℃ (lit.)
Appearance:	Colorless liquid
MDL:	MFCD00009525
LogP:	4.16360
Vapor Pressure:	0.04 [mmHg]

Publication Number	Title	Priority Date
JP-6942404-B1	Power generation elements, power generation equipment, electronic devices, power generation methods, and manufacturing methods of power generation elements	20210705
CN-113417147-A	Intelligent temperature-adjusting non-woven fabric and absorbent product	20210629
CN-113288912-A	Application of mica fermentation liquor in inhibiting helicobacter pylori	20210624
CN-113350503-A	Carrier-free hybrid nano assembly and preparation method and application thereof	20210520
CN-112940812-A	Oxygen-containing type high-cetane number secondary standard fuel	20210309

PMID	Publication Date	Title	Journal
22789457	20121201	A novel method for determination and quantification of 4-methyloctanoic and 4-methylnonanoic acids in mutton by hollow fiber supported liquid membrane extraction coupled with gas chromatography	Meat science
22967521	20120915	Application of three phase hollow fiber based liquid phase microextraction (HF-LPME) for the simultaneous HPLC determination of phenol substituting compounds (alkyl-, chloro- and nitrophenols)	Talanta
22324905	20120101	A new selective liquid membrane extraction method for the determination of basic herbicides in agro-processed fruit juices and Ethiopian honey wine (Tej) samples	Food additives & contaminants. Part A, Chemistry, analysis, control, exposure & risk assessment
21946931	20111107	Molecular recognition probes of solvation thermodynamics in solvent mixtures	Organic & biomolecular chemistry
21901977	20110801	Hollow fiber liquid-phase microextraction for the determination of nimesulide in human plasma and its application to a pharmacokinetic study	Die Pharmazie

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Complexity:	71.2
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	186.198365449
Formal Charge:	0
Heavy Atom Count:	13
Hydrogen Bond Acceptor Count:	1
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	186.198365449
Rotatable Bond Count:	10
Topological Polar Surface Area:	9.2
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	4.7